Contact configuration dependence of conductance of 1,4-phenylene diisocyanide molecular junction
Graphical abstract
The contact configuration between molecules and electrodes has great effect on current–voltage characteristics of molecular junctions. When the contact is of tetrahedron configuration, the first and second onsets of conductance are started at about 0.20 V and 0.65 V, respectively, which shows a good agreement with measurements.
Section snippets
Acknowledgements
The authors thank the support of the Natural Science Foundation of Shandong Province, China (Grant No. Y2004A08) and the Doctorate Foundation of the State Education Ministry of China (Grant No. 20040445001).
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